(phenylmethyl) 3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-4-propan-2-yloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-4-propan-2-yloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzyl 4-isopropoxy-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-methyl-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-4-propan-2-yloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-4-propan-2-yloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 4-isopropoxy-8-keto-3-methyl-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzyl ester Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1OC(C)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1OC(C)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O6S/c1-16(2)34-26-17(3)22(25(31)33-14-18-10-6-4-7-11-18)28-23(30)21(24(28)35-26)27-20(29)15-32-19-12-8-5-9-13-19/h4-13,16,21,24,26H,14-15H2,1-3H3,(H,27,29)